4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide

C11H11NO5S3 — CID 14642291

IUPAC4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C11H11NO5S3/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
InChIKeyVDAMAZDKFJYVCT-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.24
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide

4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide (PubChem CID 14642291) has the molecular formula C11H11NO5S3 and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide
PubChem CID14642291
Molecular FormulaC11H11NO5S3
Molecular Weight333.41 g/mol
Exact Mass332.98
IUPAC Name4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C11H11NO5S3/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
InChIKeyVDAMAZDKFJYVCT-UHFFFAOYSA-N
XLogP1.24
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol
CID 15516780
1-(4-Methoxy-benzenesulfonyl)-heptane-3-thiol
CID 15516781
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol
CID 18411961
3-(4-Methoxy-benzenesulfonyl)-hexane-1-thiol
CID 19366844
3-(4-Methoxy-benzenesulfonyl)-pentane-1-thiol
CID 19366856
3-(4-Methoxy-benzenesulfonyl)-cyclopentanethiol
CID 44294636
5-[[4-(Trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide
CID 132819872
5-(4-Methoxybenzylthio)thiophene-2-sulfonamide
CID 15599374
Imino(4-methoxyphenyl)methyl-lambda6-sulfanone
CID 12463931
4-methoxy-N-{2-[(2-thienylmethyl)thio]ethyl}benzenesulfonamide
CID 2059861
4-methoxy-N-(2-thienylmethyl)benzenesulfonamide
CID 2169350
4-(4-Hydroxy-benzenesulfonyl)-thiophene-2-sulfonic acid amide
CID 14642298

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide (CID 14642291) is 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide is COc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide?
The InChIKey is VDAMAZDKFJYVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S3/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16).
What are the key properties of 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide?
4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 14642291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).